Vitas-M small molecule compound

N-(4-methoxybenzyl)-2-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetamide

Catalog ID
STK694699
SMILES COc1ccc(cc1)CNC(=O)Cc1[nH]nc(n1)c1cccc(c1)[N+](=O)[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C18H17N5O4 MW 367.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O4/c1-27-15-7-5-12(6-8-15)11-19-17(24)10-16-20-18(22-21-16)13-3-2-4-14(9-13)23(25)26/h2-9H,10-11H2,1H3,(H,19,24)(H,20,21,22)
InChIKey
KFMMXQCXZNKQBS-UHFFFAOYSA-N
Synonyms
1018139-24-6
1018139246
COC1=CC=C(C=C1)CNC(=O)CC2=NC(=NN2)C3=CC(=CC=C3)(N+)(=O)(O)
COc1ccc(cc1)CNC(=O)Cc1(nH)nc(n1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC18H17N5O4c127157512(6815)111917(24)10162018(222116)1332414(913)23(25)26h29H1011H21H3(H1924)(H202122)
MFCD12034864
N((4methoxyphenyl)methyl)2(3(3nitrophenyl)1H124triazol5yl)acetamide
N(4methoxybenzyl)2(3(3nitrophenyl)1H124triazol5yl)acetamide
N(4METHOXYBENZYL)2(5(3NITROPHENYL)2H(124)TRIAZOL3YL)ACETAMIDE
ZINC000032606518
ZINC32606518

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Available files

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